![CAS 2055841-99-9 benzyl N-[1-(aminomethyl)cyclopropyl]carbamate hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2055841-99-9.png)
CAS RN: 2055841-99-9
benzyl N-[1-(aminomethyl)cyclopropyl]carbamate hydrochloride
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260410 | 100mg / 250mg / 500mg | Out of stock | 1 business days | Inquiry |
- Product code: SSC-096816
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
2055841-99-9 / benzyl N-[1-(aminomethyl)cyclopropyl]carbamate;hydrochloride
Basic Information
CAS
2055841-99-9
Multi CAS
No
Molecular Formula
C12H17ClN2O2
Molecular Weight
256.730000
Exact Mass
256.097856
SMILES
C1CC1(CN)NC(=O)OCC2=CC=CC=C2.Cl
InChI
InChI=1S/C12H16N2O2.ClH/c13-9-12(6-7-12)14-11(15)16-8-10-4-2-1-3-5-10;/h1-5H,6-9,13H2,(H,14,15);1H
InChIKey
KVUKSIILMLYQQM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
68.03
TPSA
64.35
LogP / Solubility
WLOGP
1.83
MLOGP
1.61
XLogP3
1.83
Consensus LogP
1.76
Log S (ESOL)
-2.58
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.98
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.32
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.99
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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